4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one

C165H174F6N12O22 — CID 158127417

About 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (PubChem CID 158127417) has the molecular formula C165H174F6N12O22 and a molecular weight of 2791.26 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• PubChem CID: 158127417
• Molecular Formula: C165H174F6N12O22
• Molecular Weight: 2791.26 g/mol
• Exact Mass: 2789.28
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• SMILES: COc1cccc(-c2nc(-c3cc(C)cc(C)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3cc(OC)cc(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1
• InChI: InChI=1S/C45H45N3O5.C40H39F6N3O5.C40H45N3O7.C40H45N3O5/c1-50-38-11-5-9-35(27-38)43-44(36-10-6-12-39(28-36)51-2)48(45(47-43)37-20-19-34-26-33-8-3-4-13-40(33)41(34)29-37)30-31-15-17-32(18-16-31)42(49)14-7-22-52-24-25-53-23-21-46;1-51-31-8-3-6-28(22-31)36-37(29-7-4-9-32(23-29)52-2)49(38(48-36)33-16-15-30(39(41,42)43)24-34(33)40(44,45)46)25-26-11-13-27(14-12-26)35(50)10-5-18-53-20-21-54-19-17-47;1-45-33-10-5-8-30(22-33)38-39(31-9-6-11-34(23-31)46-2)43(40(42-38)32-24-35(47-3)26-36(25-32)48-4)27-28-13-15-29(16-14-28)37(44)12-7-18-49-20-21-50-19-17-41;1-28-22-29(2)24-34(23-28)40-42-38(32-8-5-10-35(25-32)45-3)39(33-9-6-11-36(26-33)46-4)43(40)27-30-13-15-31(16-14-30)37(44)12-7-18-47-20-21-48-19-17-41/h3-6,8-13,15-20,27-29H,7,14,21-26,30,46H2,1-2H3;3-4,6-9,11-16,22-24H,5,10,17-21,25,47H2,1-2H3;5-6,8-11,13-16,22-26H,7,12,17-21,27,41H2,1-4H3;5-6,8-11,13-16,22-26H,7,12,17-21,27,41H2,1-4H3
• InChIKey: FSIVNLZTRYSNTK-UHFFFAOYSA-N
• XLogP: 31.86
• TPSA: 409.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 70
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.26
LogP ≤ 5	31.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (CID 158127417) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is COc1cccc(-c2nc(-c3cc(C)cc(C)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3cc(OC)cc(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.COc1cccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.

What is the InChIKey of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The InChIKey is FSIVNLZTRYSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45N3O5.C40H39F6N3O5.C40H45N3O7.C40H45N3O5/c1-50-38-11-5-9-35(27-38)43-44(36-10-6-12-39(28-36)51-2)48(45(47-43)37-20-19-34-26-33-8-3-4-13-40(33)41(34)29-37)30-31-15-17-32(18-16-31)42(49)14-7-22-52-24-25-53-23-21-46;1-51-31-8-3-6-28(22-31)36-37(29-7-4-9-32(23-29)52-2)49(38(48-36)33-16-15-30(39(41,42)43)24-34(33)40(44,45)46)25-26-11-13-27(14-12-26)35(50)10-5-18-53-20-21-54-19-17-47;1-45-33-10-5-8-30(22-33)38-39(31-9-6-11-34(23-31)46-2)43(40(42-38)32-24-35(47-3)26-36(25-32)48-4)27-28-13-15-29(16-14-28)37(44)12-7-18-49-20-21-50-19-17-41;1-28-22-29(2)24-34(23-28)40-42-38(32-8-5-10-35(25-32)45-3)39(33-9-6-11-36(26-33)46-4)43(40)27-30-13-15-31(16-14-30)37(44)12-7-18-47-20-21-48-19-17-41/h3-6,8-13,15-20,27-29H,7,14,21-26,30,46H2,1-2H3;3-4,6-9,11-16,22-24H,5,10,17-21,25,47H2,1-2H3;5-6,8-11,13-16,22-26H,7,12,17-21,27,41H2,1-4H3;5-6,8-11,13-16,22-26H,7,12,17-21,27,41H2,1-4H3.

What are the key properties of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one has a molecular weight of 2791.26 g/mol, XLogP of 31.86, 70 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(9H-fluoren-3-yl)-4,5-bis(3-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is sourced from PubChem (CID 158127417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).